Ho6Mn2HI3
Alexandria ALEXAlex-ID: agm006711543 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
HoHI Ho2Mn2I HoI3 Ho
2024-07-09 23:22:34.582618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006711543).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006711543
data_agm006711543
_cell_length_a 6.73853
_cell_length_b 6.73853
_cell_length_c 8.27134
_cell_angle_alpha 82.08217
_cell_angle_beta 82.08217
_cell_angle_gamma 121.24562
_cell_volume 308.18561
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.61425 0.94096 0.18753 1.00000
Ho2 Ho 0.71178 0.71178 0.82685 1.00000
Ho3 Ho 0.38575 0.05904 0.81247 1.00000
Ho4 Ho 0.94096 0.61425 0.18753 1.00000
Ho5 Ho 0.28822 0.28822 0.17315 1.00000
Ho6 Ho 0.05904 0.38575 0.81247 1.00000
Mn1 Mn 0.67613 0.32387 0.00000 1.00000
Mn2 Mn 0.32387 0.67613 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
I1 I 0.83199 0.16801 0.50000 1.00000
I2 I 0.16801 0.83199 0.50000 1.00000
I3 I 0.50000 0.50000 0.50000 1.00000
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